2-(2-ethylhexyl)benzene-1,4-diamine

C14H24N2 — CID 151075320

IUPAC2-(2-ethylhexyl)benzene-1,4-diamine
SMILESCCCCC(CC)Cc1cc(N)ccc1N
InChIInChI=1S/C14H24N2/c1-3-5-6-11(4-2)9-12-10-13(15)7-8-14(12)16/h7-8,10-11H,3-6,9,15-16H2,1-2H3
InChIKeyMIZIBGVZBZJSSN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.61
Rot. Bonds6

About 2-(2-ethylhexyl)benzene-1,4-diamine

2-(2-ethylhexyl)benzene-1,4-diamine (PubChem CID 151075320) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2-ethylhexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-ethylhexyl)benzene-1,4-diamine
PubChem CID151075320
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(2-ethylhexyl)benzene-1,4-diamine
SMILESCCCCC(CC)Cc1cc(N)ccc1N
InChIInChI=1S/C14H24N2/c1-3-5-6-11(4-2)9-12-10-13(15)7-8-14(12)16/h7-8,10-11H,3-6,9,15-16H2,1-2H3
InChIKeyMIZIBGVZBZJSSN-UHFFFAOYSA-N
XLogP3.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-amino-2-(2-ethylhexyl)phenyl]-3-ethylheptylidene]propanedioic acid
CID 158474092
1,4-bis[(2R)-2-ethylhexyl]-2,5-bis(prop-1-ynyl)benzene
CID 94865694
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608
4-[[4-[2-[[4-[(4-amino-2-methylphenyl)methyl]phenyl]methyl]hexyl]phenyl]methyl]-3-methylaniline
CID 18976627
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
5-bromo-4-(2-ethylhexyl)thiophene-2-carbaldehyde
CID 122510135
2-(2-ethylhexyl)bicyclo[2.2.0]hexa-1,3,5-triene;methoxyethene
CID 175505048
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)benzene-1,4-diamine?
The IUPAC name of 2-(2-ethylhexyl)benzene-1,4-diamine (CID 151075320) is 2-(2-ethylhexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-ethylhexyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-ethylhexyl)benzene-1,4-diamine is CCCCC(CC)Cc1cc(N)ccc1N.
What is the InChIKey of 2-(2-ethylhexyl)benzene-1,4-diamine?
The InChIKey is MIZIBGVZBZJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-6-11(4-2)9-12-10-13(15)7-8-14(12)16/h7-8,10-11H,3-6,9,15-16H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)benzene-1,4-diamine?
2-(2-ethylhexyl)benzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)benzene-1,4-diamine is sourced from PubChem (CID 151075320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).